tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate

C18H34N2O3 — CID 103949407

IUPACtert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate
SMILESC=C(C)COCCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-14(2)13-22-11-10-19-16-9-7-6-8-15(16)12-20-17(21)23-18(3,4)5/h15-16,19H,1,6-13H2,2-5H3,(H,20,21)
InChIKeyHCLCROIFXFXAQM-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.25
Rot. Bonds8

About tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate (PubChem CID 103949407) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate
PubChem CID103949407
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate
SMILESC=C(C)COCCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-14(2)13-22-11-10-19-16-9-7-6-8-15(16)12-20-17(21)23-18(3,4)5/h15-16,19H,1,6-13H2,2-5H3,(H,20,21)
InChIKeyHCLCROIFXFXAQM-UHFFFAOYSA-N
XLogP3.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate (CID 103949407) is tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate is C=C(C)COCCNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate?
The InChIKey is HCLCROIFXFXAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-14(2)13-22-11-10-19-16-9-7-6-8-15(16)12-20-17(21)23-18(3,4)5/h15-16,19H,1,6-13H2,2-5H3,(H,20,21).
What are the key properties of tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103949407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).